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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Sep-2016	/Copper metallocarbene	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); lanl2dz	-1622.71367593; Eh
	26-Sep-2016	/Copper ITS2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D	6-31g(d); lanl2dz	-2007.63984854; Eh
	26-Sep-2016	/Silver IInt1	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); lanl2dz	-1804.26084176; Eh
	26-Sep-2016	/Silver ITS1	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D	6-31g(d); lanl2dz	-1804.20957200; Eh
	26-Sep-2016	/Copper ATS2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D	6-31g(d); lanl2dz	-1854.84661766; Eh
	16-Jul-2018	Styrene	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-309.621004797; Eh
	17-Jan-2019	/L1 1b-2H	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G*	-1180.58766251; Eh
	26-Sep-2016	/Silver Adduct_A	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); lanl2dz	-1804.21171391; Eh
	26-Sep-2016	/Copper IInt1	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); lanl2dz	-1854.87405377; Eh
	26-Sep-2016	/Gold ATS2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D	6-31g(d); lanl2dz	-1793.93364135; Eh

Results 1121-1130 of 12842 (Search time: 0.004 seconds).